alexa Abstract | Effect of ternary addition on bonding properties of Rh3V intermetallics: A theoretical study

Journal of Chemical and Pharmaceutical Research
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Structural, Elastic and Electronic properties of Rh3V and Rh3Vx(Ni)1-x are studied by Full Potential Linearized Augmented Plane Wave(FP-LAPW) method. The basic physical parameter such as lattice constants, elastic constants, bulk modulus, shear modulus, Young’s modulus and Poisson’s ratio are reported. Furthermore, the chemical bonding properties of Rh3V and Rh3Vx(Ni)1-x discussed using Cauchy’s Pressure, Poisson’s Ratio, Pugh Rule and charge density plot. A strong directional bonding is seen between V-Rh-V atoms in Rh3V compound whereas no such directional bonding is seen in Rh3Vx(Ni)1-x compound.

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Author(s): M Manjula and M Sundareswari


Ternary alloying, Intermetallics, Interatomic bonding, Electronic band structure, bonding properties

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